4-O-ethyl 1-O-triethylsilyl 2-methylidenebutanedioate

C13H24O4Si — CID 19063312

IUPAC4-O-ethyl 1-O-triethylsilyl 2-methylidenebutanedioate
SMILESC=C(CC(=O)OCC)C(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C13H24O4Si/c1-6-16-12(14)10-11(5)13(15)17-18(7-2,8-3)9-4/h5-10H2,1-4H3
InChIKeyWGAFPSPMSHTIJT-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.04
Rot. Bonds8

About 4-O-ethyl 1-O-triethylsilyl 2-methylidenebutanedioate

4-O-ethyl 1-O-triethylsilyl 2-methylidenebutanedioate (PubChem CID 19063312) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is 4-O-ethyl 1-O-triethylsilyl 2-methylidenebutanedioate.

Molecular Properties

Compound Name4-O-ethyl 1-O-triethylsilyl 2-methylidenebutanedioate
PubChem CID19063312
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name4-O-ethyl 1-O-triethylsilyl 2-methylidenebutanedioate
SMILESC=C(CC(=O)OCC)C(=O)O[Si](CC)(CC)CC
InChIInChI=1S/C13H24O4Si/c1-6-16-12(14)10-11(5)13(15)17-18(7-2,8-3)9-4/h5-10H2,1-4H3
InChIKeyWGAFPSPMSHTIJT-UHFFFAOYSA-N
XLogP3.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 1-O-triethylsilyl 2-methylidenebutanedioate?
The IUPAC name of 4-O-ethyl 1-O-triethylsilyl 2-methylidenebutanedioate (CID 19063312) is 4-O-ethyl 1-O-triethylsilyl 2-methylidenebutanedioate.
What is the SMILES notation for 4-O-ethyl 1-O-triethylsilyl 2-methylidenebutanedioate?
The canonical SMILES for 4-O-ethyl 1-O-triethylsilyl 2-methylidenebutanedioate is C=C(CC(=O)OCC)C(=O)O[Si](CC)(CC)CC.
What is the InChIKey of 4-O-ethyl 1-O-triethylsilyl 2-methylidenebutanedioate?
The InChIKey is WGAFPSPMSHTIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-6-16-12(14)10-11(5)13(15)17-18(7-2,8-3)9-4/h5-10H2,1-4H3.
What are the key properties of 4-O-ethyl 1-O-triethylsilyl 2-methylidenebutanedioate?
4-O-ethyl 1-O-triethylsilyl 2-methylidenebutanedioate has a molecular weight of 272.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 1-O-triethylsilyl 2-methylidenebutanedioate is sourced from PubChem (CID 19063312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).